[(E,2S)-5-iodanyl-4-methyl-pent-4-en-2-yl] (3R,5S)-5-[2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-3-tributylstannylprop-2-enoyl]oxy-propyl]-1,3-thiazol-4-yl]-3-[[1,1,1-tris(chloranyl)-2-methyl-propan-2-yl]oxycarbonylamino]hexanoate

Systemtic Name: [(E,2S)-5-iodanyl-4-methyl-pent-4-en-2-yl] (3R,5S)-5-[2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-3-tributylstannylprop-2-enoyl]oxy-propyl]-1,3-thiazol-4-yl]-3-[[1,1,1-tris(chloranyl)-2-methyl-propan-2-yl]oxycarbonylamino]hexanoate Openeye Name: [(E,1S)-4-iodo-1,3-dimethyl-but-3-enyl] (3R,5S)-5-[2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-3-tributylstannylprop-2-enoyl]oxy-propyl]thiazol-4-yl]-3-[(2,2,2-trichloro-1,1-dimethyl-ethoxy)carbonylamino]hexanoate CAS Name: (3R,5S)-5-[2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-1-oxo-3-tributylstannylprop-2-enoxy]propyl]-4-thiazolyl]-3-[[oxo-(1,1,1-trichloro-2-methylpropan-2-yl)oxymethyl]amino]hexanoic acid [(E,2S)-5-iodo-4-methylpent-4-en-2-yl] ester IUPAC Name: [(E,2S)-5-iodo-4-methylpent-4-en-2-yl] (3R,5S)-5-[2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-3-tributylstannylprop-2-enoyl]oxypropyl]-1,3-thiazol-4-yl]-3-[(1,1,1-trichloro-2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: (3R,5S)-5-[2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-3-tributylstannylacryloyl]oxy-propyl]thiazol-4-yl]-3-[(2,2,2-trichloro-1,1-dimethyl-ethoxy)carbonylamino]hexanoic acid [(E,1S)-4-iodo-1,3-dimethyl-but-3-enyl] ester Formula: C54H80Cl3IN2O7SSiSn MolecularWeight: 1281.34617

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)C=CC(=O)OC(CC1=NC(=CS1)C(C)CC(CC(=O)OC(C)CC(=CI)C)NC(=O)OC(C)(C)C(Cl)(Cl)Cl)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCC[Sn](CCCC)(CCCC)/C=C\C(=O)O[C@@H](CC1=NC(=CS1)[C@@H](C)C[C@H](CC(=O)O[C@@H](C)C/C(=C/I)/C)NC(=O)OC(C)(C)C(Cl)(Cl)Cl)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C42H53Cl3IN2O7SSi.3C4H9.Sn/c1-10-37(49)54-32(26-52-57(40(5,6)7,33-17-13-11-14-18-33)34-19-15-12-16-20-34)24-36-48-35(27-56-36)29(3)22-31(23-38(50)53-30(4)21-28(2)25-46)47-39(51)55-41(8,9)42(43,44)45;3*1-3-4-2;/h1,10-20,25,27,29-32H,21-24,26H2,2-9H3,(H,47,51);3*1,3-4H2,2H3;/b10-1?,28-25+;;;;/t29-,30-,31+,32-;;;;/m0..../s1